(1R,2S)-2-[(2-hexoxy-4-methoxy-phenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: (1R,2S)-2-[(2-hexoxy-4-methoxy-phenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1R,2S)-2-[(2-hexoxy-4-methoxy-phenyl)methylcarbamoyl]cyclohexanecarboxylic acid CAS Name: (1R,2S)-2-[[(2-hexoxy-4-methoxyphenyl)methylamino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1R,2S)-2-[(2-hexoxy-4-methoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1R,2S)-2-[(2-hexoxy-4-methoxy-benzyl)carbamoyl]cyclohexanecarboxylic acid Formula: C22H33NO5 MolecularWeight: 391.50112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=CC(=C1)OC)CNC(=O)C2CCCCC2C(=O)O

Isomeric SMILES

CCCCCCOC1=C(C=CC(=C1)OC)CNC(=O)[C@H]2CCCC[C@H]2C(=O)O

InChI

InChI=1S/C22H33NO5/c1-3-4-5-8-13-28-20-14-17(27-2)12-11-16(20)15-23-21(24)18-9-6-7-10-19(18)22(25)26/h11-12,14,18-19H,3-10,13,15H2,1-2H3,(H,23,24)(H,25,26)/t18-,19+/m0/s1